ethyl 1-[3-(1,1-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1,1-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)propyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1,1-diphenyltetrazol-1-ium-5-yl)propyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-(1,1-diphenyl-5-tetrazol-1-iumyl)propyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,1-diphenyltetrazol-1-ium-5-yl)propyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-(1,1-diphenyltetrazol-1-ium-5-yl)propyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C30H34N5O2+ MolecularWeight: 496.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCC2=NN=N[N+]2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCC2=NN=N[N+]2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N5O2/c1-2-37-29(36)30(25-13-6-3-7-14-25)20-23-34(24-21-30)22-12-19-28-31-32-33-35(28,26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18H,2,12,19-24H2,1H3/q+1